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CAS No.: | 10489-28-8 |
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Name: | 2,3-DIHYDRO-2,2-DIMETHYLINDEN-1-ONE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H12O |
Molecular Weight: | 160.216 |
Synonyms: | 1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-;2,2-Dimethyl-2,3-dihydro-1H-inden-1-one; |
Density: | 1.044 g/cm3 |
Melting Point: | 44-45 °C |
Boiling Point: | 240.5 °C at 760 mmHg |
Flash Point: | 94.3 °C |
PSA: | 17.07000 |
LogP: | 2.45160 |
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The 2,2-Dimethyl-3H-inden-1-one, with the CAS registry number 10489-28-8, is also known as 1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-. This chemical's molecular formula is C11H12O and molecular weight is 160.21. What's more, its systematic name is 2,2-Dimethyl-2,3-dihydro-1H-inden-1-one.
Physical properties of 2,2-Dimethyl-3H-inden-1-one are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 47.87 cm3; (9)Molar Volume: 153.4 cm3; (10)Polarizability: 18.98×10-24 cm3; (11)Surface Tension: 35.3 dyne/cm; (12)Density: 1.044 g/cm3; (13)Flash Point: 94.3 °C; (14)Enthalpy of Vaporization: 47.74 kJ/mol; (15)Boiling Point: 240.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0379 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC2=CC=CC=C2C1=O)C
(2)InChI: InChI=1S/C11H12O/c1-11(2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3
(3)InChIKey: AFVDWGITABCILM-UHFFFAOYSA-N